PPIRE13767

Target Protein Information
Protein_Name Peptidyl-prolyl cis-trans isomerase A
Protein_Sequence MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Organism_Source Homo sapiens
Functional_Classification peptidyl-prolyl isomerases
Cellular_Localization Cytoplasm
Gene_Names PPIA
UniProt_ID P62937
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name peptide 2
Peptide_Sequence DRVHPVHAGPIAPAQXREPRGSDIA
Peptide_Length 25
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification X16=norleucine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2603.88
Aliphatic_Index 70.40000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.12000
Charge_at_pH_7 0.18246
Isoelectric_Point 7.71539
Number_of_Hydrogen_Bond_Acceptors 36
Number_of_Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1144.84000
X_logP_energy -13.77029
Interaction Information
Affinity IC50=230 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Conformational state of a 25-mer peptide from the cyclophilin-binding loop of the HIV type 1 capsid protein.
Release_Year 1997
PMID 9337866
DOI 10.1042/bj3260181